Acetic Acid → 6-Ethyl-1,2-dihydro-2-oxo-5-(n-propanoyl)nicotinic acid
반응식
[CH2:1]([CH3:2])[c:3]1[nH:4][c:5](=[O:15])[c:6]([C:7]#[N:8])[cH:9][c:10]1[C:11]([CH2:12][CH3:13])=[O:14].[CH3:22][C:23](=[O:24])[OH:25].[OH2:16].[S:17]([OH:18])(=[O:19])(=[O:20])[OH:21]>>[CH2:1]([CH3:2])[c:3]1[nH:4][c:5](=[O:15])[c:6]([C:7](=[O:16])[OH:18])[cH:9][c:10]1[C:11]([CH2:12][CH3:13])=[O:14]참가 물질
5
출처 및 근거
- ORD 기록
- ord-87d1931b4a7447c3b1524d616afa174e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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